Crystallography Open Database

Information card for entry 7219181

7219180 << 7219181 >> 7219182

Preview

Coordinates	7219181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H30 Cu2 F3 N9 O3 S
Calculated formula	C43 H30 Cu2 F3 N9 O3 S
SMILES	[Cu]12345[Cu]67([n]8ccccc8c8n6c(cc8)c6[n]1cccc6)([N]13C(=CC=C1c1[n]7cccc1)c1[n]2cccc1)[n]1ccccc1c1n4c(cc1)c1[n]5cccc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Anion-directed Assembly of Helical Copper(II) Complexes Based on a Bispyridylpyrrole Ligand: Synthesis, Structural and Magnetic Properties
Authors of publication	Fang, Wen-zhong; Wang, Ya-Ping; Wang, Yi-Fan; Zhang, Shou-chun; Yi, Xiao-Yi
Journal of publication	RSC Adv.
Year of publication	2014
a	18.6566 ± 0.0009 Å
b	11.8775 ± 0.0006 Å
c	19.2374 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4262.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1053
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.1685
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180522 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/91.	7219181.cif
129033	2014-12-24	cif/ Adding structures of 7219179, 7219180, 7219181 via cif-deposit CGI script.	7219181.cif